SCHEMBL25836107

SCHEMBL25836107

COc1ccc(OC2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.49
PDGFRA P16234 3/20 0.49
ACACB O00763 6/20 0.42
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ACACA Q13085 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RET P07949 1/20 0.39
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LIPE Q05469 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28603785 0.85 PDGFRB (0.49) PDGFRBPDGFRAACACBACACA
SCHEMBL941428 0.84 TDO2 (0.46) HRH3
Hydrochloric Acid SCHEMBL20138397 0.83 TDP1 (0.48) HRH3
SCHEMBL20158603 0.83 TDO2 (0.48) RETMCHR1HRH3LIPE
SCHEMBL624331 0.82 LOX (0.40) PDGFRBPDGFRAACACBLOXLOXL2
SCHEMBL20069585 0.80 HRH3 (0.55) HRH3
SCHEMBL15147591 0.79 PDGFRB (0.44) PDGFRBPDGFRAACACBLOXLOXL2
SCHEMBL21525586 0.79 DGAT1 (0.53)
SCHEMBL19977842 0.79 KDM1A (0.39) KDM4ERETMCHR1LIPE
SCHEMBL20147967 0.79 MCHR1 (0.40) ACACBRETMCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 PDGFRB 1034/4885PDGFRA 728/4885ACACB 4836/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.